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Ligand

NameCHEMBL516370
Molecular formulaC30H26F3N3O2
IUPAC name5-methoxy-N-[2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight517.552
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50277220
rac-4-methoxy-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide
Inchi KeyFZGJOQIUVBVNBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H26F3N3O2/c1-38-26-11-12-27(19-5-8-22(9-6-19)30(31,32)33)28(17-26)29(37)36-23-10-7-20-14-25(16-21(20)15-23)35-18-24-4-2-3-13-34-24/h2-13,15,17,25,35H,14,16,18H2,1H3,(H,36,37)
PubChem CID44591289
ChEMBLCHEMBL516370
IUPHARN/A
BindingDB50277220
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90879Smoothened homologP56726SmoMus musculus (Mouse)793

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